[gmx-users] Check V for NVT‏

[Justin A. Lemkul]

Rama G wrote:
> Hi Gmx users,
> 
> I am using 4.0.X version of Gromacs and doing a NVT simulation. Now I 
> wanna check if the Volume is constant after the simulation.
> I tried g_energy but did not find "Volume" in the pool of the options. 
> Can anyone help me?
> 

Box-X, -Y, and -Z are in the .edr file.  From these, you can calculate the volume.

-Justin

> Thanks,
> 
> Juju
> 

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================